2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid

C13H12N2O3S — CID 66355663

IUPAC2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccsc1)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c16-12(17)8-15(11-4-2-1-3-5-11)13(18)14-10-6-7-19-9-10/h1-7,9H,8H2,(H,14,18)(H,16,17)
InChIKeyLDBKUYAVUDZNJN-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.87
Rot. Bonds4

About 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid

2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid (PubChem CID 66355663) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
PubChem CID66355663
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccsc1)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c16-12(17)8-15(11-4-2-1-3-5-11)13(18)14-10-6-7-19-9-10/h1-7,9H,8H2,(H,14,18)(H,16,17)
InChIKeyLDBKUYAVUDZNJN-UHFFFAOYSA-N
XLogP2.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-(thiophen-3-ylcarbamoyl)anilino]acetic acid
CID 66354817
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611
2-[N-[(3-bromophenyl)carbamoyl]anilino]acetic acid
CID 61191509
2-[tert-butyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79257193
2-[thiophen-3-ylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266672
2-[prop-2-ynyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79286710
1-(aminosulfanylmethyl)-1,3-diphenylurea
CID 90925999
2-[2-methoxyethyl(thiophen-3-ylcarbamoyl)amino]acetic acid
CID 79282464
2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid
CID 61466028
2-[N-(1,2,4-triazin-3-ylcarbamoyl)anilino]acetic acid
CID 114388682
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
2-(N-(2-oxo-2-phenylmethoxyacetyl)anilino)acetic acid
CID 68865167

Frequently Asked Questions

What is the IUPAC name of 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid (CID 66355663) is 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid is O=C(O)CN(C(=O)Nc1ccsc1)c1ccccc1.
What is the InChIKey of 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid?
The InChIKey is LDBKUYAVUDZNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c16-12(17)8-15(11-4-2-1-3-5-11)13(18)14-10-6-7-19-9-10/h1-7,9H,8H2,(H,14,18)(H,16,17).
What are the key properties of 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid?
2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid has a molecular weight of 276.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(thiophen-3-ylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 66355663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).